2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

C17H18N2S — CID 142736082

IUPAC2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESCCc1ccccc1-c1cn2c3c(sc2n1)CCCC3
InChIInChI=1S/C17H18N2S/c1-2-12-7-3-4-8-13(12)14-11-19-15-9-5-6-10-16(15)20-17(19)18-14/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyWERGCAOUEKLPHT-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.50
Rot. Bonds2

About 2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 142736082) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID142736082
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
SMILESCCc1ccccc1-c1cn2c3c(sc2n1)CCCC3
InChIInChI=1S/C17H18N2S/c1-2-12-7-3-4-8-13(12)14-11-19-15-9-5-6-10-16(15)20-17(19)18-14/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyWERGCAOUEKLPHT-UHFFFAOYSA-N
XLogP4.50
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 115280231
10-(5-ethylthiophen-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086221
2-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83085510
10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086528
10-(2-chloro-4-fluorophenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83085616
2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83091886
2-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 115280232
10-(1-ethylpyrazol-4-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086835
10-(4-bromophenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83085913
10-(4-bromo-2-fluorophenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086628
2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 114229311
2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
CID 93211188

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole (CID 142736082) is 2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is CCc1ccccc1-c1cn2c3c(sc2n1)CCCC3.
What is the InChIKey of 2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is WERGCAOUEKLPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-2-12-7-3-4-8-13(12)14-11-19-15-9-5-6-10-16(15)20-17(19)18-14/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of 2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole?
2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 282.41 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 142736082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).